N-[6-[2-fluoro-4-[1-[1-[1-(pyridin-4-ylamino)ethenyl]cyclopropyl]ethenylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C28H26FN7O2 — CID 89162969

About N-[6-[2-fluoro-4-[1-[1-[1-(pyridin-4-ylamino)ethenyl]cyclopropyl]ethenylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[2-fluoro-4-[1-[1-[1-(pyridin-4-ylamino)ethenyl]cyclopropyl]ethenylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 89162969) has the molecular formula C28H26FN7O2 and a molecular weight of 511.56 g/mol. Its IUPAC name is N-[6-[2-fluoro-4-[1-[1-[1-(pyridin-4-ylamino)ethenyl]cyclopropyl]ethenylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[6-[2-fluoro-4-[1-[1-[1-(pyridin-4-ylamino)ethenyl]cyclopropyl]ethenylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• PubChem CID: 89162969
• Molecular Formula: C28H26FN7O2
• Molecular Weight: 511.56 g/mol
• Exact Mass: 511.21
• IUPAC Name: N-[6-[2-fluoro-4-[1-[1-[1-(pyridin-4-ylamino)ethenyl]cyclopropyl]ethenylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• SMILES: C=C(Nc1ccncc1)C1(C(=C)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c(F)c2)CC1
• InChI: InChI=1S/C28H26FN7O2/c1-17(31-20-9-13-30-14-10-20)28(11-12-28)18(2)32-21-5-6-23(22(29)15-21)38-26-8-7-25-33-24(16-36(25)35-26)34-27(37)19-3-4-19/h5-10,13-16,19,32H,1-4,11-12H2,(H,30,31)(H,34,37)
• InChIKey: ASMQIWBBNSIBKM-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 105.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.56
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-fluoro-4-[1-[1-[1-(pyridin-4-ylamino)ethenyl]cyclopropyl]ethenylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[6-[2-fluoro-4-[1-[1-[1-(pyridin-4-ylamino)ethenyl]cyclopropyl]ethenylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 89162969) is N-[6-[2-fluoro-4-[1-[1-[1-(pyridin-4-ylamino)ethenyl]cyclopropyl]ethenylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[6-[2-fluoro-4-[1-[1-[1-(pyridin-4-ylamino)ethenyl]cyclopropyl]ethenylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[6-[2-fluoro-4-[1-[1-[1-(pyridin-4-ylamino)ethenyl]cyclopropyl]ethenylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is C=C(Nc1ccncc1)C1(C(=C)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c(F)c2)CC1.

What is the InChIKey of N-[6-[2-fluoro-4-[1-[1-[1-(pyridin-4-ylamino)ethenyl]cyclopropyl]ethenylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The InChIKey is ASMQIWBBNSIBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN7O2/c1-17(31-20-9-13-30-14-10-20)28(11-12-28)18(2)32-21-5-6-23(22(29)15-21)38-26-8-7-25-33-24(16-36(25)35-26)34-27(37)19-3-4-19/h5-10,13-16,19,32H,1-4,11-12H2,(H,30,31)(H,34,37).

What are the key properties of N-[6-[2-fluoro-4-[1-[1-[1-(pyridin-4-ylamino)ethenyl]cyclopropyl]ethenylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

N-[6-[2-fluoro-4-[1-[1-[1-(pyridin-4-ylamino)ethenyl]cyclopropyl]ethenylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 511.56 g/mol, XLogP of 5.74, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-fluoro-4-[1-[1-[1-(pyridin-4-ylamino)ethenyl]cyclopropyl]ethenylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 89162969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).